SCHEMBL8552686

SCHEMBL8552686

CCOc1c(OC)cc2c(c1OC)c(-c1ccc(OC)cc1)c(OC(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.53
EDNRA P25101 3/20 0.44
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NEK2 P51955 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8547582 0.94 EDNRB (0.52) EDNRBEDNRAMEN1MAPTKMT2A
SCHEMBL8549175 0.94 EDNRB (0.59) EDNRBEDNRAGAA
SCHEMBL8548410 0.90 EDNRB (0.44) EDNRBEDNRAMEN1MAPTKMT2A
SCHEMBL8547527 0.90 EDNRB (0.48) EDNRBEDNRAMEN1MAPTKMT2A
SCHEMBL8552685 0.89 EDNRB (0.64) EDNRBEDNRAMAPT
SCHEMBL8547316 0.89 EDNRB (0.44) EDNRBEDNRAMEN1MAPTKMT2A
SCHEMBL8549370 0.88 EDNRB (0.42) EDNRBEDNRAMEN1MAPTKMT2A
SCHEMBL8551196 0.86 EDNRB (0.52) EDNRBEDNRAMEN1MAPTKMT2A
SCHEMBL8550887 0.84 EDNRB (0.58) EDNRBEDNRAMEN1MAPTKMT2A
SCHEMBL8547985 0.84 EDNRB (0.49) EDNRBEDNRAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed